5-bromanyl-2-methoxy-N-[[3-(3-methylbutoxy)phenyl]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-methoxy-N-[[3-(3-methylbutoxy)phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-N-[(3-isopentyloxyphenyl)carbamothioyl]-2-methoxy-benzamide CAS Name: 5-bromo-2-methoxy-N-[[3-(3-methylbutoxy)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-methoxy-N-[[3-(3-methylbutoxy)phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-N-[(3-isoamoxyphenyl)thiocarbamoyl]-2-methoxy-benzamide Formula: C20H23BrN2O3S MolecularWeight: 451.37722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=CC(=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CC(C)CCOC1=CC=CC(=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C20H23BrN2O3S/c1-13(2)9-10-26-16-6-4-5-15(12-16)22-20(27)23-19(24)17-11-14(21)7-8-18(17)25-3/h4-8,11-13H,9-10H2,1-3H3,(H2,22,23,24,27)